dimethylphosphane;ethyl 2-ethyl-3-oxobutanoate

C10H21O3P — CID 174367125

IUPACdimethylphosphane;ethyl 2-ethyl-3-oxobutanoate
SMILESCCOC(=O)C(CC)C(C)=O.CPC
InChIInChI=1S/C8H14O3.C2H7P/c1-4-7(6(3)9)8(10)11-5-2;1-3-2/h7H,4-5H2,1-3H3;3H,1-2H3
InChIKeyLBHVWCMVJSKHJG-UHFFFAOYSA-N
MW220.25 g/mol
LogP2.09
Rot. Bonds4

About dimethylphosphane;ethyl 2-ethyl-3-oxobutanoate

dimethylphosphane;ethyl 2-ethyl-3-oxobutanoate (PubChem CID 174367125) has the molecular formula C10H21O3P and a molecular weight of 220.25 g/mol. Its IUPAC name is dimethylphosphane;ethyl 2-ethyl-3-oxobutanoate.

Molecular Properties

Compound Namedimethylphosphane;ethyl 2-ethyl-3-oxobutanoate
PubChem CID174367125
Molecular FormulaC10H21O3P
Molecular Weight220.25 g/mol
Exact Mass220.12
IUPAC Namedimethylphosphane;ethyl 2-ethyl-3-oxobutanoate
SMILESCCOC(=O)C(CC)C(C)=O.CPC
InChIInChI=1S/C8H14O3.C2H7P/c1-4-7(6(3)9)8(10)11-5-2;1-3-2/h7H,4-5H2,1-3H3;3H,1-2H3
InChIKeyLBHVWCMVJSKHJG-UHFFFAOYSA-N
XLogP2.09
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 2-ethyl-3-oxobutanoate;dimethylphosphane
CID 174607733
dimethylphosphane;2-ethyl-3-oxobutanoic acid
CID 174298040
chloromethyl 2-ethyl-3-oxobutanoate
CID 174900145
diethyl 2,7-diacetyloct-4-ynedioate
CID 19777474
1-O-ethyl 3-O-methyl (2S)-2-ethylpropanedioate
CID 34173637
ethyl 2-(2-chloroethyl)-3-oxobutanoate
CID 156705463
ethane;ethyl 2-acetylhexanoate
CID 90770730
ethyl 2-acetyl-8-methylnonanoate
CID 18370281
ethyl (E)-2-acetyl-7-oxooct-4-enoate
CID 12813372
ethyl 2-acetyltridecanoate
CID 539486
ethyl 2-acetyl-3,3,4,4,4-pentadeuteriobutanoate
CID 46779959
diethyl (2R)-2-acetylpentanedioate
CID 6993985

Frequently Asked Questions

What is the IUPAC name of dimethylphosphane;ethyl 2-ethyl-3-oxobutanoate?
The IUPAC name of dimethylphosphane;ethyl 2-ethyl-3-oxobutanoate (CID 174367125) is dimethylphosphane;ethyl 2-ethyl-3-oxobutanoate.
What is the SMILES notation for dimethylphosphane;ethyl 2-ethyl-3-oxobutanoate?
The canonical SMILES for dimethylphosphane;ethyl 2-ethyl-3-oxobutanoate is CCOC(=O)C(CC)C(C)=O.CPC.
What is the InChIKey of dimethylphosphane;ethyl 2-ethyl-3-oxobutanoate?
The InChIKey is LBHVWCMVJSKHJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3.C2H7P/c1-4-7(6(3)9)8(10)11-5-2;1-3-2/h7H,4-5H2,1-3H3;3H,1-2H3.
What are the key properties of dimethylphosphane;ethyl 2-ethyl-3-oxobutanoate?
dimethylphosphane;ethyl 2-ethyl-3-oxobutanoate has a molecular weight of 220.25 g/mol, XLogP of 2.09, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylphosphane;ethyl 2-ethyl-3-oxobutanoate is sourced from PubChem (CID 174367125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).